N,N,4-trimethyl-1-phenylhexan-3-amine

C15H25N — CID 54141645

IUPACN,N,4-trimethyl-1-phenylhexan-3-amine
SMILESCCC(C)C(CCc1ccccc1)N(C)C
InChIInChI=1S/C15H25N/c1-5-13(2)15(16(3)4)12-11-14-9-7-6-8-10-14/h6-10,13,15H,5,11-12H2,1-4H3
InChIKeyXHKWGVKQHKNWCN-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.60
Rot. Bonds6

About N,N,4-trimethyl-1-phenylhexan-3-amine

N,N,4-trimethyl-1-phenylhexan-3-amine (PubChem CID 54141645) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N,N,4-trimethyl-1-phenylhexan-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-phenylhexan-3-amine
PubChem CID54141645
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN,N,4-trimethyl-1-phenylhexan-3-amine
SMILESCCC(C)C(CCc1ccccc1)N(C)C
InChIInChI=1S/C15H25N/c1-5-13(2)15(16(3)4)12-11-14-9-7-6-8-10-14/h6-10,13,15H,5,11-12H2,1-4H3
InChIKeyXHKWGVKQHKNWCN-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dimethylhexylbenzene
CID 72602417
N,N-dimethyl-5-phenylpentan-2-amine
CID 12951765
2-N,2-N,3-trimethyl-1-N-(4-phenylbutan-2-yl)butane-1,2-diamine
CID 43107601
(1S)-1-(dimethylamino)-3-phenylpropan-1-ol
CID 54291399
N,N-diethyl-4-phenylbutan-2-amine
CID 567866
(2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine
CID 28615648
N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride
CID 158803245
N-methyl-4-phenyl-N-propylbutan-2-amine
CID 90881559
N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine
CID 19885180
2,3-dimethyl-N-(2-phenylethyl)pentan-1-amine
CID 22955485
2-methyl-4-phenylbutane-1,1-diol
CID 20647936
1-phenylpentan-3-yl formate
CID 58248129

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-phenylhexan-3-amine?
The IUPAC name of N,N,4-trimethyl-1-phenylhexan-3-amine (CID 54141645) is N,N,4-trimethyl-1-phenylhexan-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-phenylhexan-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-phenylhexan-3-amine is CCC(C)C(CCc1ccccc1)N(C)C.
What is the InChIKey of N,N,4-trimethyl-1-phenylhexan-3-amine?
The InChIKey is XHKWGVKQHKNWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-13(2)15(16(3)4)12-11-14-9-7-6-8-10-14/h6-10,13,15H,5,11-12H2,1-4H3.
What are the key properties of N,N,4-trimethyl-1-phenylhexan-3-amine?
N,N,4-trimethyl-1-phenylhexan-3-amine has a molecular weight of 219.37 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-phenylhexan-3-amine is sourced from PubChem (CID 54141645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).